7C9K
Crystal Structure of E84Q mutant of CntL in complex with SAM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-11 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.540562 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 57.816, 133.210, 135.278 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.790 - 2.750 |
| R-factor | 0.26033 |
| Rwork | 0.259 |
| R-free | 0.28632 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7c7m |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.767 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.790 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.088 | 0.407 |
| Number of reflections | 14688 | 1476 |
| <I/σ(I)> | 32.8 | |
| Completeness [%] | 99.3 | 99.7 |
| Redundancy | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.3 M caesium acetate, 20 % w/v PEG 3350 |
